Geometry & MOs

Info

ID:	78003
PubChem CID:	49681512
Reduced:	SO2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	26.83
Dipole, Da:	1.7
IP(EA), eV:	-8.87(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)sulfanyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCCCC(=O)NC2=NN=C(O2)C3=CC=NC=C3

DOS

IR

Vibrations